4-[(1-decyl-4,4-dimethyl-2-oxidanylidene-3H-quinolin-1-ium-1-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1-decyl-4,4-dimethyl-2-oxidanylidene-3H-quinolin-1-ium-1-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1-decyl-4,4-dimethyl-2-oxo-3H-quinolin-1-ium-1-carbonyl)amino]benzoic acid CAS Name: 4-[[(1-decyl-4,4-dimethyl-2-oxo-3H-quinolin-1-ium-1-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-decyl-4,4-dimethyl-2-oxo-3H-quinolin-1-ium-1-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-decyl-2-keto-4,4-dimethyl-3H-quinolin-1-ium-1-carbonyl)amino]benzoic acid Formula: C29H39N2O4+ MolecularWeight: 479.63096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(C(=O)CC(C2=CC=CC=C21)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCC[N+]1(C(=O)CC(C2=CC=CC=C21)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H38N2O4/c1-4-5-6-7-8-9-10-13-20-31(28(35)30-23-18-16-22(17-19-23)27(33)34)25-15-12-11-14-24(25)29(2,3)21-26(31)32/h11-12,14-19H,4-10,13,20-21H2,1-3H3,(H-,30,33,34,35)/p+1